Authors:Hung, Linda and Carter, Emily A.
Title:Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics
Journal:CHEMICAL PHYSICS LETTERS
Year: 2009
Vol.: 475
No.: 4-6
pp.: 163-170

Authors:Garcia-Cervera, C. J. and Lu, Jianfeng and Xuan, Yulin and E, Weinan
Title:Linear-scaling subspace-iteration algorithm with optimally localized nonorthogonal wave functions for Kohn-Sham density functional theory
Journal:PHYSICAL REVIEW B
Year: 2009
Vol.: 79
No.: 11

Authors:Chen, Huajie and Zhou, Aihui
Title:Orbital-Free Density Functional Theory for Molecular Structure Calculations
Journal:NUMERICAL MATHEMATICS-THEORY METHODS AND APPLICATIONS
Year: 2008
Vol.: 1
No.: 1
pp.: 1-28

Authors:Ho, Gregory S. and Ligneres, Vincent L. and Carter, Emily A.
Title:Introducing PROFESS: A new program for orbital-free density functional theory calculations
Journal:COMPUTER PHYSICS COMMUNICATIONS
Year: 2008
Vol.: 179
No.: 11
pp.: 839-854

Authors:Ho, Gregory S. and Ligneres, Vincent L. and Carter, Emily A.
Title:Analytic form for a nonlocal kinetic energy functional with a density-dependent kernel for orbital-free density functional theory under periodic and Dirichlet boundary conditions
Journal:PHYSICAL REVIEW B
Year: 2008
Vol.: 78
No.: 4

Authors:Garcia-Cervera, Carlos J.
Title:A remark on ``An efficient real space method for orbital-free density-functional theory{''}
Journal:COMMUNICATIONS IN COMPUTATIONAL PHYSICS
Year: 2008
Vol.: 3
No.: 4
pp.: 968-972

Authors:Garcia-Cervera, Carlos J. and Lu, Jianfeng and Weinan, E.
Title:A sub-linear scaling algorithm for computing the electronic structure of materials
Journal:COMMUNICATIONS IN MATHEMATICAL SCIENCES
Year: 2007
Vol.: 5
No.: 4
pp.: 999-1026

Authors:E, Weinan and Lu, Jianfeng
Title:The continuum limit and QM-continuum approximation of quantum mechanical models of solids
Journal:COMMUNICATIONS IN MATHEMATICAL SCIENCES
Year: 2007
Vol.: 5
No.: 3
pp.: 679-696